# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71252569
_cell_length_b   12.71747547
_cell_length_c   47.86483894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7699.57850598
_cell_formula_units_Z   216
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.141228  0.475422  0.302861  1
  Al  Al2  1  0.474081  0.140889  0.302836  1
  Al  Al3  1  0.446586  0.445890  0.328955  1
  Al  Al4  1  0.808616  0.808041  0.302864  1
  Al  Al5  1  0.779094  0.113375  0.328956  1
  Al  Al6  1  0.748731  0.415533  0.353777  1
  Al  Al7  1  0.111456  0.778248  0.328890  1
  Al  Al8  1  0.170369  0.173280  0.277935  1
  Al  Al9  1  0.506529  0.837123  0.277935  1
  Al  Al10  1  1.002681  0.341849  0.278306  1
  Al  Al11  1  0.338394  0.005148  0.277845  1
  Al  Al12  1  0.307288  0.308303  0.302813  1
  Al  Al13  1  0.675114  0.669441  0.278308  1
  Al  Al14  1  0.641494  0.974095  0.302814  1
  Al  Al15  1  0.611862  0.278657  0.329113  1
  Al  Al16  1  0.972424  0.639242  0.301765  1
  Al  Al17  1  0.945688  0.945911  0.329093  1
  Al  Al18  1  0.279118  0.612479  0.329092  1
  Al  Al19  1  0.112240  0.279163  0.329181  1
  Al  Al20  1  0.445651  0.945552  0.329035  1
  Al  Al21  1  0.503786  0.337473  0.278077  1
  Al  Al22  1  0.779874  0.610955  0.328668  1
  Al  Al23  1  0.838418  0.005196  0.277970  1
  Al  Al24  1  0.807563  0.310251  0.302424  1
  Al  Al25  1  0.172968  0.672889  0.278013  1
  Al  Al26  1  0.141580  0.975205  0.302795  1
  Al  Al27  1  0.474826  0.641258  0.302763  1
  Al  Al28  1  0.944146  0.446675  0.328659  1
  Al  Al29  1  0.278758  0.112447  0.329035  1
  Al  Al30  1  0.338436  0.505179  0.277970  1
  Al  Al31  1  0.612366  0.779037  0.329182  1
  Al  Al32  1  0.670709  0.170541  0.278077  1
  Al  Al33  1  0.643476  0.474369  0.302422  1
  Al  Al34  1  0.006129  0.839730  0.278012  1
  Al  Al35  1  0.974457  0.141621  0.302764  1
  Al  Al36  1  0.308403  0.808381  0.302794  1
  Al  Al37  1  0.051306  0.385893  0.379559  1
  Al  Al38  1  0.385210  0.052016  0.379821  1
  Al  Al39  1  0.354717  0.354919  0.405346  1
  Al  Al40  1  0.719086  0.718115  0.379562  1
  Al  Al41  1  0.688108  0.021529  0.405346  1
  Al  Al42  1  0.657697  0.324511  0.431111  1
  Al  Al43  1  0.021455  0.688264  0.405373  1
  Al  Al44  1  0.082069  0.082261  0.353908  1
  Al  Al45  1  0.415457  0.748871  0.353907  1
  Al  Al46  1  0.915424  0.248787  0.353906  1
  Al  Al47  1  0.248562  0.915365  0.353859  1
  Al  Al48  1  0.218483  0.218903  0.379856  1
  Al  Al49  1  0.581981  0.582227  0.353906  1
  Al  Al50  1  0.552096  0.885289  0.379857  1
  Al  Al51  1  0.521393  0.188205  0.405336  1
  Al  Al52  1  0.885386  0.552189  0.379944  1
  Al  Al53  1  0.854724  0.854739  0.405311  1
  Al  Al54  1  0.187927  0.521533  0.405310  1
  Al  Al55  1  0.021356  0.188380  0.405342  1
  Al  Al56  1  0.354747  0.854850  0.405350  1
  Al  Al57  1  0.415219  0.249006  0.353883  1
  Al  Al58  1  0.688146  0.521501  0.405288  1
  Al  Al59  1  0.749010  0.915565  0.353871  1
  Al  Al60  1  0.718612  0.218818  0.379801  1
  Al  Al61  1  0.081886  0.582561  0.353819  1
  Al  Al62  1  0.051964  0.885350  0.379809  1
  Al  Al63  1  0.385262  0.552000  0.379827  1
  Al  Al64  1  0.854691  0.354957  0.405288  1
  Al  Al65  1  0.188040  0.021558  0.405350  1
  Al  Al66  1  0.248759  0.415815  0.353869  1
  Al  Al67  1  0.521568  0.688166  0.405343  1
  Al  Al68  1  0.582200  0.082025  0.353883  1
  Al  Al69  1  0.552012  0.385417  0.379801  1
  Al  Al70  1  0.915759  0.748694  0.353821  1
  Al  Al71  1  0.885196  0.052069  0.379827  1
  Al  Al72  1  0.218545  0.718768  0.379809  1
  Al  Al73  1  0.960543  0.294119  0.456769  1
  Al  Al74  1  0.293935  0.960753  0.456780  1
  Al  Al75  1  0.263491  0.263730  0.482485  1
  Al  Al76  1  0.627301  0.627361  0.456770  1
  Al  Al77  1  0.596908  0.930313  0.482486  1
  Al  Al78  1  0.566469  0.233295  0.508190  1
  Al  Al79  1  0.930194  0.597015  0.482502  1
  Al  Al80  1  0.990994  0.991177  0.431116  1
  Al  Al81  1  0.324362  0.657807  0.431115  1
  Al  Al82  1  0.824338  0.157878  0.431114  1
  Al  Al83  1  0.157697  0.824510  0.431128  1
  Al  Al84  1  0.127227  0.127469  0.456774  1
  Al  Al85  1  0.491064  0.491152  0.431113  1
  Al  Al86  1  0.460651  0.794044  0.456774  1
  Al  Al87  1  0.430211  0.097033  0.482499  1
  Al  Al88  1  0.793925  0.460743  0.456767  1
  Al  Al89  1  0.763537  0.763669  0.482499  1
  Al  Al90  1  0.096848  0.430359  0.482499  1
  Al  Al91  1  0.930175  0.097037  0.482495  1
  Al  Al92  1  0.263547  0.763675  0.482496  1
  Al  Al93  1  0.324326  0.157872  0.431123  1
  Al  Al94  1  0.596886  0.430344  0.482501  1
  Al  Al95  1  0.657815  0.824336  0.431058  1
  Al  Al96  1  0.627265  0.127410  0.456780  1
  Al  Al97  1  0.991047  0.491117  0.431114  1
  Al  Al98  1  0.960581  0.794080  0.456785  1
  Al  Al99  1  0.293892  0.460740  0.456769  1
  Al  Al100  1  0.763523  0.263708  0.482501  1
  Al  Al101  1  0.096854  0.930368  0.482496  1
  Al  Al102  1  0.157521  0.324630  0.431057  1
  Al  Al103  1  0.430216  0.596996  0.482495  1
  Al  Al104  1  0.491057  0.991141  0.431123  1
  Al  Al105  1  0.460591  0.294083  0.456780  1
  Al  Al106  1  0.824305  0.657860  0.431114  1
  Al  Al107  1  0.793923  0.960710  0.456769  1
  Al  Al108  1  0.127263  0.627398  0.456785  1
  Al  Al109  1  0.869354  0.202939  0.533901  1
  Al  Al110  1  0.202708  0.869536  0.533883  1
  Al  Al111  1  0.172257  0.172541  0.559549  1
  Al  Al112  1  0.536109  0.536183  0.533901  1
  Al  Al113  1  0.505708  0.839089  0.559549  1
  Al  Al114  1  0.475326  0.142162  0.585334  1
  Al  Al115  1  0.838973  0.505806  0.559606  1
  Al  Al116  1  0.899779  0.899933  0.508185  1
  Al  Al117  1  0.233108  0.566604  0.508185  1
  Al  Al118  1  0.733125  0.066606  0.508183  1
  Al  Al119  1  0.066440  0.733265  0.508188  1
  Al  Al120  1  0.036025  0.036231  0.533890  1
  Al  Al121  1  0.399781  0.399951  0.508183  1
  Al  Al122  1  0.369402  0.702853  0.533890  1
  Al  Al123  1  0.338984  0.005816  0.559529  1
  Al  Al124  1  0.702749  0.369579  0.533927  1
  Al  Al125  1  0.672371  0.672433  0.559584  1
  Al  Al126  1  0.005601  0.339204  0.559584  1
  Al  Al127  1  0.838967  0.005773  0.559572  1
  Al  Al128  1  0.172245  0.672438  0.559577  1
  Al  Al129  1  0.233108  0.066644  0.508172  1
  Al  Al130  1  0.505658  0.339183  0.559581  1
  Al  Al131  1  0.566495  0.733244  0.508179  1
  Al  Al132  1  0.536107  0.036227  0.533900  1
  Al  Al133  1  0.899772  0.399974  0.508192  1
  Al  Al134  1  0.869407  0.702865  0.533923  1
  Al  Al135  1  0.202703  0.369592  0.533908  1
  Al  Al136  1  0.672350  0.172491  0.559581  1
  Al  Al137  1  0.005605  0.839077  0.559577  1
  Al  Al138  1  0.066419  0.233320  0.508179  1
  Al  Al139  1  0.338941  0.505800  0.559573  1
  Al  Al140  1  0.399819  0.899933  0.508172  1
  Al  Al141  1  0.369398  0.202936  0.533900  1
  Al  Al142  1  0.733148  0.566598  0.508192  1
  Al  Al143  1  0.702763  0.869532  0.533908  1
  Al  Al144  1  0.036037  0.536236  0.533923  1
  Al  Al145  1  0.778173  0.111548  0.610918  1
  Al  Al146  1  0.111286  0.778126  0.610928  1
  Al  Al147  1  0.080447  0.081848  0.636520  1
  Al  Al148  1  0.444707  0.445014  0.610918  1
  Al  Al149  1  0.415003  0.747292  0.636523  1
  Al  Al150  1  0.384583  0.051432  0.661614  1
  Al  Al151  1  0.747841  0.414684  0.636930  1
  Al  Al152  1  0.808602  0.808703  0.585378  1
  Al  Al153  1  0.141867  0.475438  0.585379  1
  Al  Al154  1  0.642037  0.975422  0.585354  1
  Al  Al155  1  0.975210  0.642045  0.585407  1
  Al  Al156  1  0.944641  0.944722  0.610898  1
  Al  Al157  1  0.308587  0.308873  0.585354  1
  Al  Al158  1  0.277882  0.611482  0.610899  1
  Al  Al159  1  0.247829  0.914668  0.636709  1
  Al  Al160  1  0.611455  0.278297  0.610895  1
  Al  Al161  1  0.581250  0.581428  0.636976  1
  Al  Al162  1  0.914584  0.248094  0.636976  1
  Al  Al163  1  0.747919  0.914619  0.636910  1
  Al  Al164  1  0.081165  0.581145  0.636924  1
  Al  Al165  1  0.141859  0.975364  0.585288  1
  Al  Al166  1  0.414631  0.248261  0.636828  1
  Al  Al167  1  0.475389  0.641912  0.585293  1
  Al  Al168  1  0.444873  0.944906  0.610802  1
  Al  Al169  1  0.808607  0.308802  0.585400  1
  Al  Al170  1  0.777996  0.611543  0.610954  1
  Al  Al171  1  0.111398  0.278402  0.610907  1
  Al  Al172  1  0.581420  0.081473  0.636828  1
  Al  Al173  1  0.914303  0.748006  0.636924  1
  Al  Al174  1  0.975075  0.142225  0.585292  1
  Al  Al175  1  0.247778  0.414761  0.636910  1
  Al  Al176  1  0.308529  0.808694  0.585288  1
  Al  Al177  1  0.278066  0.111713  0.610802  1
  Al  Al178  1  0.641965  0.475444  0.585400  1
  Al  Al179  1  0.611560  0.778239  0.610907  1
  Al  Al180  1  0.944702  0.444838  0.610954  1
  Al  Al181  1  0.689501  0.022175  0.687963  1
  Al  Al182  1  0.021074  0.687912  0.687930  1
  Al  Al183  1  0.992274  0.991653  0.713155  1
  Al  Al184  1  0.355335  0.356334  0.687965  1
  Al  Al185  1  0.324763  0.659154  0.713155  1
  Al  Al186  1  0.294700  0.961612  0.736356  1
  Al  Al187  1  0.658150  0.325037  0.712884  1
  Al  Al188  1  0.717303  0.718023  0.661848  1
  Al  Al189  1  0.051172  0.384154  0.661848  1
  Al  Al190  1  0.550820  0.884756  0.661793  1
  Al  Al191  1  0.884024  0.550875  0.661763  1
  Al  Al192  1  0.855137  0.855445  0.688241  1
  Al  Al193  1  0.217905  0.217673  0.661792  1
  Al  Al194  1  0.188606  0.521973  0.688241  1
  Al  Al195  1  0.156508  0.823397  0.712757  1
  Al  Al196  1  0.521958  0.188799  0.688077  1
  Al  Al197  1  0.491416  0.491920  0.712926  1
  Al  Al198  1  0.825034  0.158303  0.712926  1
  Al  Al199  1  0.657013  0.825369  0.713141  1
  Al  Al200  1  0.991442  0.491187  0.712967  1
  Al  Al201  1  0.050890  0.884341  0.661817  1
  Al  Al202  1  0.325742  0.160329  0.712745  1
  Al  Al203  1  0.384207  0.551482  0.661786  1
  Al  Al204  1  0.355821  0.854009  0.687003  1
  Al  Al205  1  0.717717  0.217867  0.661730  1
  Al  Al206  1  0.688412  0.522233  0.688119  1
  Al  Al207  1  0.022556  0.188305  0.688328  1
  Al  Al208  1  0.493469  0.992635  0.712745  1
  Al  Al209  1  0.824303  0.658327  0.712967  1
  Al  Al210  1  0.884631  0.051059  0.661786  1
  Al  Al211  1  0.158484  0.323892  0.713141  1
  Al  Al212  1  0.217492  0.717743  0.661818  1
  Al  Al213  1  0.187154  0.022666  0.686994  1
  Al  Al214  1  0.551014  0.384569  0.661731  1
  Al  Al215  1  0.521462  0.689400  0.688330  1
  Al  Al216  1  0.855391  0.355254  0.688119  1
